Metabolite 5-OH PAP

Name

5-OH PAP

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 229.243
Monoisotopic: 229.096359994

Chemical Formula

C₁₁H₁₁N₅O

InChI Key

BVBZFKYOQZLANE-UHFFFAOYSA-N

InChI

InChI=1S/C11H11N5O/c12-10-8(6-9(17)11(13)14-10)16-15-7-4-2-1-3-5-7/h1-6,17H,(H4,12,13,14)

IUPAC Name

2-amino-6-imino-5-(2-phenyldiazen-1-yl)-1,6-dihydropyridin-3-ol

SMILES

NC1=C(O)C=C(N=NC2=CC=CC=C2)C(=N)N1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-0090000000-239d735ee00f623defcc
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-0290000000-e7da75505f507bd8db00
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00b9-1790000000-0410fce02fc355e6995d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00pi-5900000000-887a447e25722b3ea6ad
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-056r-0940000000-ba01d62b655bcbe0d6c6
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-002f-9800000000-9915e0ae15731d1acd64

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	149.13155	predicted	DeepCCS 1.0 (2019)
[M+H]+	151.48955	predicted	DeepCCS 1.0 (2019)
[M+Na]+	157.58269	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties